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2C-T-2
CAS: 207740-24-7 | C12H19NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
207740-24-7
Molecular Formula:
C12H19NO2S
Molecular Mass:
241.36 g/mol
Names and Synonyms:
2C-T-2
Benzeneethanamine, 4-(ethylthio)-2,5-dimethoxy-
4-(Ethylthio)-2,5-dimethoxybenzeneethanamine
2,5-Dimethoxy-4-(ethylthio)phenethylamine
4-Ethylthio-2,5-dimethoxyphenethylamine
2C-T2
4-Ethylthio-2,5-dimethoxy-β-phenethylamine
Identifiers:
SMILES:
CCSc1cc(OC)c(CCN)cc1OC
InChI:
InChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3
Key Properties
Melting Point
130 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.36 g/mol | CAS Common Chemistry |
| 241.35599999999994 g/mol | RDKit | |
| 241.113649848 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2C-T-2 | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC(=C(OC)C=C1SCC)CCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HCWQGDLBIKOJPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | 4-Ethylthio-2,5-dimethoxyphenethylamine | CAS Common Chemistry |
| 2C-T-2 | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 2.317 | RDKit |
| Molar Refractivity | 68.70240000000004 | RDKit |
